[Wien] Supercell stops

[Peter Blaha]

There are many possible reasons for this.

Maybe you require too much memory for lapw2c.

Try a reduced RKMAX and check if the problem goes away.

Eventually you have to move to a bigger computer.

Am 28.02.2012 11:42, schrieb علاء عبد الحميد:
> Dears developers and users,
> I'm trying to study the CoSi2 with different types of defects. But when I
> tried to run the WIEN2K with the supercell of 2x2x2 with defects I foubnd
> the following massage in the begining of the run
> LAPW2 -c (-7:48:06) segmentation fault
>
> 0406u 0.296s 0:00.70  98.5%  0+0k 0+0io 0pf+0w
>
> error: command   /root/WIEN2K/lapw2.def   failed
>
> stop error
> Please tell me if i missed anything to run the code
> thanks in advance
> A S Hamid
>
>
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-- 
Peter Blaha
Inst.Materials Chemistry
TU Vienna
Getreidemarkt 9
A-1060 Vienna
Austria
+43-1-5880115671